5-nitro-2-[[[4-[(4-sulfophenyl)diazenyl]phenyl]amino]diazenyl]benzenesulfonic acid

Systemtic Name: 5-nitro-2-[[[4-[(4-sulfophenyl)diazenyl]phenyl]amino]diazenyl]benzenesulfonic acid Openeye Name: 5-nitro-2-[4-(4-sulfophenyl)azoanilino]azo-benzenesulfonic acid CAS Name: 5-nitro-2-[4-(4-sulfophenyl)azoanilino]azobenzenesulfonic acid IUPAC Name: 5-nitro-2-[[4-[(4-sulfophenyl)diazenyl]anilino]diazenyl]benzenesulfonic acid Traditional Name: 5-nitro-2-[4-(4-sulfophenyl)azoanilino]azo-besylic acid Formula: C18H14N6O8S2 MolecularWeight: 506.46916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NN=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H14N6O8S2/c25-24(26)15-7-10-17(18(11-15)34(30,31)32)22-23-21-14-3-1-12(2-4-14)19-20-13-5-8-16(9-6-13)33(27,28)29/h1-11H,(H,21,22)(H,27,28,29)(H,30,31,32)